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过氧化合物法PLZT纳米粉体的制备和表征 被引量:3
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作者 赵文宽 方佑龄 《无机化学学报》 SCIE CAS CSCD 北大核心 2001年第2期292-296,共5页
Pb0.92La0.08(Zr0.65Ti0.35) o.98O3 (PLZT) nanosized powder was prepared from the corresponding nitrate alnd H2O2 by thermal decomposition of the peroxide. FT-IR, DTA-TG, XRD, TEM, and chemical analyses indicated that: ... Pb0.92La0.08(Zr0.65Ti0.35) o.98O3 (PLZT) nanosized powder was prepared from the corresponding nitrate alnd H2O2 by thermal decomposition of the peroxide. FT-IR, DTA-TG, XRD, TEM, and chemical analyses indicated that: (l) Peroxide precursor of PLZT was composed of Pbo.92La0.08 (Zr0.65Ti0.35)0.98O2 (O2) 3H2O; (2) PLZT started to form at 5500C, but PbO and PbZro3 still existed; (3) homogeneous tetragonal crystals of PLZT were formed at 7000C, with average particle diameter Of 22nm; (4) the sizes of the crystals increased with increasing calcination temperatures, crystals of PLZT were formed at 8500C with average particle diameter of 56nm. 展开更多
关键词 锆钛酸铅镧 过氧化合物前驱 纳米粉体 制备 表征 过氧化合物 电光陶瓷材料
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密度泛函理论研究反应CH_3+HClCH_4+Cl(Ⅰ)频率分析与反应机理 被引量:1
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作者 刘高燕 魏勋 +2 位作者 谢怡 陈光 朱海豹 《曲阜师范大学学报(自然科学版)》 CAS 2006年第3期93-97,共5页
通过密度泛函理论(DFT)在6-311G*基组水平上对CH3+HCl CH4+Cl反应进行研究,获得反应中间体,过渡态的最优化构型、能量及振动频率.对前驱化合物、过渡态、后继化合物的频率分析得出了其反应机理.HCl分子中的H进攻C原子,经前驱化合物形成... 通过密度泛函理论(DFT)在6-311G*基组水平上对CH3+HCl CH4+Cl反应进行研究,获得反应中间体,过渡态的最优化构型、能量及振动频率.对前驱化合物、过渡态、后继化合物的频率分析得出了其反应机理.HCl分子中的H进攻C原子,经前驱化合物形成过渡态,电子转移在前驱化合物中发生. 展开更多
关键词 前驱化合物 过渡态 后继化合物 电子转移
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密度泛函理论对反应CH_3+HClCH_4+Cl的动力学研究
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作者 苑壮东 付蓉 +1 位作者 张莉莉 李光 《曲阜师范大学学报(自然科学版)》 CAS 2008年第2期74-76,共3页
以密度泛函理论(Density functional theory,DFT)在6-311G*基组水平上对CH3+HClCH4+Cl反应进行研究,获得了反应的活化能、电子耦合矩阵元、重组能等动力学重要数据,并以B3LYP方法与实验数值联合佐证了电子转移反应的步骤对整个反应过... 以密度泛函理论(Density functional theory,DFT)在6-311G*基组水平上对CH3+HClCH4+Cl反应进行研究,获得了反应的活化能、电子耦合矩阵元、重组能等动力学重要数据,并以B3LYP方法与实验数值联合佐证了电子转移反应的步骤对整个反应过程的反应速率起决定性作用. 展开更多
关键词 键断裂反应 电子转移 前驱化合物
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Synthesis of aligned carbon nanotube with straight-chained alkanes by nebulization method
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作者 刘云泉 陈小华 +2 位作者 杨植 蒲玉兴 易斌 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2010年第6期1012-1016,共5页
Aligned carbon nanotubes(CNTs)were synthesized by nebulized spray pyrolysis of solutions of organometallics in carbon precursor solvents.Four types of straight-chained alkanes including n-pentane,n-hexane,n-heptane an... Aligned carbon nanotubes(CNTs)were synthesized by nebulized spray pyrolysis of solutions of organometallics in carbon precursor solvents.Four types of straight-chained alkanes including n-pentane,n-hexane,n-heptane and n-octane were used as precursor solvents for synthesis of aligned CNTs.The results from scanning electron microscopy,transmission electron microscopy and Raman spectroscopy show that the CNTs obtained from them have different diameters and degrees of graphitization. It is found that the n-heptane is the most suitable for the growth of aligned CNTs with high quality and yield.The thermodynamic properties of precursory carbon sources such as boiling point and formation enthalpy are considered to play a decisive role in the synthesis of CNTs.It will be very helpful for the controllable preparation of aligned CNTs at relatively low cost. 展开更多
关键词 aligned carbon nanotubes NEBULIZATION straight-chained alkanes thermodynamic property
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